Dresden 2020 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 34: Computational Materials Modelling - Matter-Particle Interaction
MM 34.1: Talk
Wednesday, March 18, 2020, 10:15–10:30, IFW D
Structural evolution in a heavily irradiated BCC metal. — •Peter Derlet1 and Sergei Dudarev2 — 1Condensed Matter Theory Group, Paul Scherrer Institute, Switzerland — 2Department of Physics and Thomas Young Centre, Imperial College London, United Kingdom
Using atomistic simulations and a simplified and computationally highly efficient defect-creation protocol, we study the micro-structure emerging under high-dosage neutron and ion irradiation conditions. The so-called Creation Relaxation Algorithm (CRA) simulations exhibit the gradual transition from isolated defects to a micro-structure characterized by an extended dislocation network and a population of vacancy and interstitials. The corresponding internal stress/strain structure characterizes a spatially correlated and multi-scale potential energy-landscape whose material descriptors remain largely insensitive to further irradiation exposure. With full atomic resolution, the CRA rapidly produces a complex microstructure with strong experimental analogues in BCC materials experiencing doses relevant for the ITER fusion reactor project. Examples are given for both BCC Fe and W.